Geometry & MOs

Info

ID:	294153
PubChem CID:	117428348
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	270.117984
ΔH_f, kcal/mol:	-3.67
Dipole, Da:	2.66
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,5-difluorobenzoic acid

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=C(C=C1)C2(CC2)O)Br

DOS

IR

Vibrations